N-[6-azanyl-2-(naphthalen-1-ylmethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[6-azanyl-2-(naphthalen-1-ylmethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[6-amino-2-(1-naphthylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-2-(1-naphthalenylmethylthio)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[6-amino-2-(naphthalen-1-ylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-4-keto-2-(1-naphthylmethylthio)-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C23H19N5O4S MolecularWeight: 461.49306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SCC3=CC=CC4=CC=CC=C43)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SCC3=CC=CC4=CC=CC=C43)N

InChI

InChI=1S/C23H19N5O4S/c1-13-16(10-5-11-18(13)28(31)32)21(29)25-19-20(24)26-23(27-22(19)30)33-12-15-8-4-7-14-6-2-3-9-17(14)15/h2-11H,12H2,1H3,(H,25,29)(H3,24,26,27,30)